2-(1-methyl-3-oxopiperazin-2-yl)acetic acid

C7H12N2O3 — CID 653824

IUPAC2-(1-methyl-3-oxopiperazin-2-yl)acetic acid
SMILESCN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C7H12N2O3/c1-9-3-2-8-7(12)5(9)4-6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyFQKYGXLDOAFGCC-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.11
Rot. Bonds2

About 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid

2-(1-methyl-3-oxopiperazin-2-yl)acetic acid (PubChem CID 653824) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-3-oxopiperazin-2-yl)acetic acid
PubChem CID653824
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(1-methyl-3-oxopiperazin-2-yl)acetic acid
SMILESCN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C7H12N2O3/c1-9-3-2-8-7(12)5(9)4-6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyFQKYGXLDOAFGCC-UHFFFAOYSA-N
XLogP-1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(3-oxopiperazin-2-yl)acetate
CID 2998378
Aspartylglycine
CID 151148
(3S)-3-amino-3-((carboxymethyl)carbamoyl)propanoic acid
CID 302429
Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Aspartyl-alanyl-diketopiperazine
CID 9815453
4-(2,2-Dimethyl-3-oxo-piperazin-1-yl)-4-oxo-butyric acid
CID 1089068
Ala-Asn
CID 1549441
N-(2-Amino-1-hydroxypropylidene)-4-iminohomoserine
CID 259612
Asp-Ala
CID 4677380
Cairomycin A
CID 133131
4-Oxo-4-piperazin-1-yl-butyric acid
CID 833228
Methyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 21738762

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid (CID 653824) is 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid is CN1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid?
The InChIKey is FQKYGXLDOAFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-9-3-2-8-7(12)5(9)4-6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid?
2-(1-methyl-3-oxopiperazin-2-yl)acetic acid has a molecular weight of 172.18 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 653824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).